![1-[(E)-benzalamino]-5-imino-3-methyl-imidazo[1,2-a]pyrimidine-6-carbonitrile](/api/spectrum/1CKX8iLkXOi/structure.png?h=300&w=458 "1-[(E)-benzalamino]-5-imino-3-methyl-imidazo[1,2-a]pyrimidine-6-carbonitrile")
| SpectraBase Compound ID | L3BnZYPFiMP |
|---|---|
| InChI | InChI=1S/C15H12N6/c1-11-10-20(19-8-12-5-3-2-4-6-12)15-18-9-13(7-16)14(17)21(11)15/h2-6,8-10,17H,1H3/b17-14?,19-8+ |
| InChIKey | PEAIPKIVHLMMQV-ZUFRFSQLSA-N |
| Mol Weight | 276.3 g/mol |
| Molecular Formula | C15H12N6 |
| Exact Mass | 276.112344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1CKX8iLkXOi |
|---|---|
| Name | 1-[(E)-Benzalamino]-5-imino-3-methyl-imidazo[1,2-A]pyrimidine-6-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.112344410 u |
| Formula | C15H12N6 |
| InChI | InChI=1S/C15H12N6/c1-11-10-20(19-8-12-5-3-2-4-6-12)15-18-9-13(7-16)14(17)21(11)15/h2-6,8-10,17H,1H3/b17-14?,19-8+ |
| InChIKey | PEAIPKIVHLMMQV-ZUFRFSQLSA-N |
| SMILES | C12=NC=C(C(N2C(=CN1\N=C\C=1C=CC=CC1)C)=N)C#N |